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	hartrees
Energy at 0K	-43.188329
Energy at 298.15K	-43.189266
HF Energy	-42.403036
Nuclear repulsion energy	77.392208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3249	3084	0.00
2	A_g	2140	2032	0.00
3	A_g	1657	1573	0.00
4	A_g	1320	1254	0.00
5	A_g	1023	971	0.00
6	A_g	516	490	0.00
7	A_g	231	220	0.00
8	A_u	1000	949	67.02
9	A_u	528	502	0.63
10	A_u	124	118	12.96
11	B_g	861	817	0.00
12	B_g	359	340	0.00
13	B_u	3246	3082	5.49
14	B_u	2157	2048	10.94
15	B_u	1281	1216	0.34
16	B_u	1016	964	5.86
17	B_u	500	475	2.63
18	B_u	126	120	16.01

Atom	x (Å)	y (Å)
C1	-0.351	0.593
C2	0.351	-0.593
C3	0.351	1.865
C4	-0.351	-1.865
N5	0.924	2.925
N6	-0.924	-2.925
H7	-1.445	0.607
H8	1.445	-0.607

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3775	1.4538	2.4579	2.6581	3.5634	1.0944	2.1604
C2	1.3775		2.4579	1.4538	3.5634	2.6581	2.1604	1.0944
C3	1.4538	2.4579		3.7964	1.2043	4.9569	2.1934	2.7039
C4	2.4579	1.4538	3.7964		4.9569	1.2043	2.7039	2.1934
N5	2.6581	3.5634	1.2043	4.9569		6.1343	3.3145	3.5699
N6	3.5634	2.6581	4.9569	1.2043	6.1343		3.5699	3.3145
H7	1.0944	2.1604	2.1934	2.7039	3.3145	3.5699		3.1356
H8	2.1604	1.0944	2.7039	2.1934	3.5699	3.3145	3.1356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.455	C1	C2	H8	121.423
C1	C3	N5	179.532	C2	C1	C3	120.455
C2	C1	H7	121.423	C2	C4	N6	179.532
C3	C1	H7	118.122	C4	C2	H8	118.122

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)